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Hydrochloric Acid → 2-Methyl-4-(piperidin-1-yl)-N-(3-(trifluoromethyl)benzyl)-1,8-naphthyridine-3-carboxamide

HRID 673955
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HRID 673955 반응식
[CH3:1][c:2]1[n:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:11]1[C:12]([O:14][CH2:13][CH3:15])=[O:16].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:68][CH2:69][OH:70].[ClH:25].[ClH:26].[F:56][C:57]([c:58]1[cH:59][c:60]([CH2:61][NH2:62])[cH:63][cH:64][cH:65]1)([F:66])[F:67].[Na+:24].[OH-:23].[OH2:38].[OH2:71].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][c:2]1[n:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[c:10]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:11]1[C:12](=[O:14])[NH:62][CH2:61][c:60]1[cH:59][c:58]([C:57]([F:56])([F:66])[F:67])[cH:65][cH:64][cH:63]1
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11

반응물 10

HCID 313Hydrochloric Acid2회HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962Water2회HCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 75771
1-Hydroxybenzotriazole
HCID 759623-(Trifluoromethyl)benzylamine
HCID 66634229HCID 66634229, 화합물

생성물 1

HCID 469085792-Methyl-4-(piperidin-1-yl)-N-(3-(trifluoromethyl)benzyl)-1,8-naphthyridine-3-carboxamide

출처 및 근거

ORD 기록
ord-ba7e1dba0a0d49bca4fcbf3b3bff1a86
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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